2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide

C10H11ClN2O4 — CID 104513136

IUPAC2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(CC(Cl)C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11ClN2O4/c1-17-7-3-2-6(4-8(11)10(12)14)9(5-7)13(15)16/h2-3,5,8H,4H2,1H3,(H2,12,14)
InChIKeyALGAPBGTDTUUPD-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.24
Rot. Bonds5

About 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide

2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide (PubChem CID 104513136) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide
PubChem CID104513136
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(CC(Cl)C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11ClN2O4/c1-17-7-3-2-6(4-8(11)10(12)14)9(5-7)13(15)16/h2-3,5,8H,4H2,1H3,(H2,12,14)
InChIKeyALGAPBGTDTUUPD-UHFFFAOYSA-N
XLogP1.24
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-(4-methoxy-2-nitrophenyl)propanoate
CID 83194461
1-(2-chloro-2-cyclopropylethyl)-4-methoxy-2-nitrobenzene
CID 63353069
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
methyl 2-chloro-3-(4-cyano-2-nitrophenyl)propanoate
CID 83197932
2-chloro-3-(5-fluoro-2-nitrophenyl)propanamide
CID 104513275
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
2-(4-methoxy-2-nitrophenyl)acetonitrile
CID 11183126
methyl 2-(4-methoxy-2-nitroanilino)propanoate
CID 43515163
2-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034
2-(3-amino-4-methoxyphenyl)-3-(4-methoxy-2-nitrophenyl)propanenitrile
CID 11977113
2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
CID 104513124
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide?
The IUPAC name of 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide (CID 104513136) is 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide?
The canonical SMILES for 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide is COc1ccc(CC(Cl)C(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide?
The InChIKey is ALGAPBGTDTUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-17-7-3-2-6(4-8(11)10(12)14)9(5-7)13(15)16/h2-3,5,8H,4H2,1H3,(H2,12,14).
What are the key properties of 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide?
2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide has a molecular weight of 258.66 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 104513136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).